Geometry & MOs

Info

ID:

328126

PubChem CID:

126692170

Reduced:

PN3O4F5C34H37 (1)

Stoich.:

AB3C4D5E34F37 (1)

Weight, g/mol:

677.243674

ΔHf, kcal/mol:

-342.29

Dipole, Da:

4.17

IP(EA), eV:

 -8.61(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-3-[[2-(azetidin-1-yl)-5-[5-[3-(azetidin-1-yl)-3-oxopropyl]-2-methoxyphenyl]pyrimidin-4-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)CCCOC)OC5CC5)C6=CC(=CC(=C6)C(F)(F)P)C(F)(F)F

DOS

IR

Vibrations